(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride

C7H14Cl2N4 — CID 122156702

IUPAC(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(C2CCC2)nn1
InChIInChI=1S/C7H12N4.2ClH/c8-4-6-5-11(10-9-6)7-2-1-3-7;;/h5,7H,1-4,8H2;2*1H
InChIKeyUJWLERVHLXKMIG-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.31
Rot. Bonds2

About (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride

(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride (PubChem CID 122156702) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
PubChem CID122156702
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(C2CCC2)nn1
InChIInChI=1S/C7H12N4.2ClH/c8-4-6-5-11(10-9-6)7-2-1-3-7;;/h5,7H,1-4,8H2;2*1H
InChIKeyUJWLERVHLXKMIG-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride (CID 122156702) is (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride is Cl.Cl.NCc1cn(C2CCC2)nn1.
What is the InChIKey of (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride?
The InChIKey is UJWLERVHLXKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c8-4-6-5-11(10-9-6)7-2-1-3-7;;/h5,7H,1-4,8H2;2*1H.
What are the key properties of (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride?
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 122156702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).